#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6b s LEU 1 N 0.00 4.36 0.05 0.99 1.43 -1.26 -1.62 118.68 122.64 3b6b s LEU 1 Ca 0.00 2.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.94 3b6b s LEU 1 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3b6b s LEU 1 CO 0.00 -0.77 -0.01 -1.10 0.23 0.00 0.00 176.35 174.69 3b6b s GLN 2 N -1.22 0.63 0.07 1.70 -0.21 -0.67 -4.84 119.66 115.12 3b6b s GLN 2 Ca 0.56 -1.21 0.10 0.00 0.02 0.00 0.00 55.36 54.83 3b6b s GLN 2 Cb -0.44 0.22 -0.03 0.00 1.00 0.00 0.00 33.01 33.75 3b6b s GLN 2 CO 0.52 -0.12 -0.25 1.03 -2.12 0.00 0.00 175.29 174.35 3b6b s ARG 3 N -3.92 1.71 0.11 2.91 0.52 -1.26 -2.26 118.95 116.76 3b6b s ARG 3 Ca 0.07 -1.17 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 3b6b s ARG 3 Cb 0.08 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 3b6b s ARG 3 CO -0.10 0.50 -0.03 -0.08 0.02 0.00 0.00 175.30 175.60 3b6b s THR 4 N -0.91 0.53 -0.17 0.02 -1.32 -0.69 -4.77 115.64 108.33 3b6b s THR 4 Ca 0.13 -1.92 -0.05 0.00 -1.21 0.00 0.00 61.69 58.64 3b6b s THR 4 Cb -0.10 -1.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.09 3b6b s THR 4 CO 0.04 -0.78 -0.00 -0.22 -2.21 0.00 0.00 174.62 171.44 3b6b s LEU 5 N -3.04 3.40 -0.06 9.08 0.20 -1.26 -1.83 118.68 125.16 3b6b s LEU 5 Ca 0.14 -0.09 0.05 0.00 0.69 0.00 0.00 54.13 54.92 3b6b s LEU 5 Cb 0.06 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 3b6b s LEU 5 CO -0.04 0.15 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.29 3b6b s VAL 6 N 0.50 2.58 -0.14 1.68 1.01 0.63 -1.99 120.40 124.67 3b6b s VAL 6 Ca -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3b6b s VAL 6 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3b6b s VAL 6 CO 0.02 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.88 3b6b s LEU 7 N -0.37 3.14 -0.31 3.92 1.43 -0.21 -0.03 118.68 126.25 3b6b s LEU 7 Ca 0.03 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 3b6b s LEU 7 Cb -0.12 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3b6b s LEU 7 CO 0.02 0.20 0.45 -0.63 0.23 0.00 0.00 176.35 176.63 3b6b s ILE 8 N 0.16 5.09 0.61 -0.59 -1.09 0.29 -1.14 121.20 124.54 3b6b s ILE 8 Ca -0.03 0.50 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 3b6b s ILE 8 Cb -0.14 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 3b6b s ILE 8 CO 0.03 -0.02 0.94 -0.54 -1.23 0.00 0.00 174.94 174.12 3b6b s LYS 9 N 2.24 2.91 0.55 2.79 1.02 -0.06 -2.33 119.74 126.86 3b6b s LYS 9 Ca 0.17 0.10 0.23 0.00 0.02 0.00 0.00 55.97 56.49 3b6b s LYS 9 Cb -0.16 -2.22 1.50 0.00 -0.52 0.00 0.00 37.83 36.44 3b6b s LYS 9 CO 0.11 -0.77 2.16 -1.35 -0.92 0.00 0.00 175.35 174.58 3b6b h PRO 10 N -0.27 0.00 0.00 -1.68 0.11 -1.84 -0.38 132.00 127.94 3b6b h PRO 10 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3b6b h PRO 10 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3b6b h PRO 10 CO 0.61 0.00 -0.15 0.38 -0.21 0.00 0.00 178.00 178.63 3b6b h ASP 11 N 0.00 0.00 -0.19 -2.05 2.03 -1.91 -1.88 116.42 112.42 3b6b h ASP 11 Ca 0.04 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.19 3b6b h ASP 11 Cb 0.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.67 3b6b h ASP 11 CO -0.00 0.15 -0.40 0.00 -1.03 0.00 0.00 179.24 177.96 3b6b h ALA 12 N 1.85 0.73 -0.21 4.15 0.00 -1.32 -1.69 119.26 122.76 3b6b h ALA 12 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3b6b h ALA 12 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3b6b h ALA 12 CO 0.02 0.66 -0.35 0.74 0.00 0.00 0.00 179.25 180.32 3b6b h PHE 13 N 0.60 0.76 -0.93 0.00 -1.00 -1.49 0.25 116.94 115.13 3b6b h PHE 13 Ca 0.05 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 3b6b h PHE 13 Cb 0.94 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.31 3b6b h PHE 13 CO 0.05 1.01 0.54 1.49 -1.61 0.00 0.00 178.31 179.79 3b6b h GLU 14 N 0.29 1.27 -0.25 1.51 4.81 -1.31 -2.74 114.58 118.17 3b6b h GLU 14 Ca 0.02 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3b6b h GLU 14 Cb 0.94 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3b6b h GLU 14 CO 0.08 0.90 0.00 0.54 -0.73 0.00 0.00 179.01 179.80 3b6b n ARG 15 N -4.35 1.98 -3.75 1.92 1.74 -0.64 -4.95 116.66 108.61 3b6b n ARG 15 Ca 0.10 -1.48 -0.24 0.00 -0.77 0.00 0.00 57.85 55.46 3b6b n ARG 15 Cb 0.07 -1.42 0.03 0.00 -1.02 0.00 0.00 32.46 30.12 3b6b n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3b6b n SER 16 N 0.71 -2.32 -0.51 0.55 7.64 -0.55 -4.91 113.62 114.22 3b6b n SER 16 Ca 0.17 -0.79 0.05 0.00 1.01 0.00 0.00 58.87 59.31 3b6b n SER 16 Cb 0.41 -4.08 0.13 0.00 -1.01 0.00 0.00 64.21 59.67 3b6b n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3b6b n LEU 17 N -4.41 2.84 0.22 -3.43 4.77 0.78 -4.78 117.00 113.00 3b6b n LEU 17 Ca -0.20 -2.20 -0.15 0.00 -0.03 0.00 0.00 56.01 53.43 3b6b n LEU 17 Cb 0.63 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3b6b n LEU 17 CO 0.70 0.67 0.67 0.58 -1.33 0.00 0.00 177.39 178.68 3b6b h VAL 18 N 1.46 0.62 -0.86 4.08 2.07 -1.91 -0.72 116.25 120.99 3b6b h VAL 18 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3b6b h VAL 18 Cb 0.80 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3b6b h VAL 18 CO 0.03 0.04 0.53 0.00 0.02 0.00 0.00 177.57 178.20 3b6b h ALA 19 N -0.08 1.09 -0.64 1.67 0.00 -1.94 -0.91 119.26 118.46 3b6b h ALA 19 Ca -0.05 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3b6b h ALA 19 Cb 0.47 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3b6b h ALA 19 CO 0.09 0.54 0.37 1.49 0.00 0.00 0.00 179.25 181.73 3b6b h GLU 20 N 1.18 0.68 -0.05 0.00 4.57 -1.82 0.53 114.58 119.66 3b6b h GLU 20 Ca 0.31 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3b6b h GLU 20 Cb -0.08 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.36 3b6b h GLU 20 CO -0.06 0.45 -0.02 0.82 -1.18 0.00 0.00 179.01 179.02 3b6b h ILE 21 N 0.70 1.31 -0.40 2.32 2.04 -0.63 -2.63 117.51 120.22 3b6b h ILE 21 Ca 0.28 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3b6b h ILE 21 Cb 0.12 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3b6b h ILE 21 CO -0.15 0.26 0.13 0.24 0.00 0.00 0.00 178.15 178.63 3b6b h MET 22 N -0.26 0.58 -0.75 2.37 2.86 -0.93 -2.69 114.93 116.12 3b6b h MET 22 Ca 0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3b6b h MET 22 Cb 0.43 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3b6b h MET 22 CO 0.01 0.51 0.43 0.78 1.06 0.00 0.00 176.91 179.69 3b6b h GLY 23 N 0.76 1.09 1.22 8.32 0.00 0.17 -0.14 103.07 114.50 3b6b h GLY 23 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3b6b h GLY 23 CO -0.01 0.46 0.33 3.21 0.00 0.00 0.00 176.54 180.53 3b6b h ARG 24 N 1.02 1.01 -0.15 4.80 3.08 -1.12 0.94 114.38 123.96 3b6b h ARG 24 Ca 0.27 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 3b6b h ARG 24 Cb -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3b6b h ARG 24 CO -0.05 0.78 -0.46 0.82 -1.07 0.00 0.00 179.97 180.00 3b6b h ILE 25 N 1.00 1.34 -1.01 2.04 2.04 -1.45 -3.02 117.51 118.46 3b6b h ILE 25 Ca 0.24 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.40 3b6b h ILE 25 Cb 0.11 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3b6b h ILE 25 CO -0.03 0.53 0.66 -0.08 0.00 0.00 0.00 178.15 179.23 3b6b h GLU 26 N 0.22 1.29 0.00 2.37 4.81 -0.71 -2.43 114.58 120.13 3b6b h GLU 26 Ca -0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3b6b h GLU 26 Cb 1.08 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3b6b h GLU 26 CO 0.10 0.85 -0.11 0.87 -0.73 0.00 0.00 179.01 179.99 3b6b h LYS 27 N 1.32 0.00 -0.26 1.92 1.57 -0.83 -1.82 116.57 118.47 3b6b h LYS 27 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3b6b h LYS 27 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3b6b h LYS 27 CO -0.10 0.11 0.00 1.17 -0.57 0.00 0.00 179.45 180.06 3b6b n LYS 28 N -3.28 1.73 -0.97 3.15 4.81 -0.92 -4.92 118.16 117.75 3b6b n LYS 28 Ca 0.00 -1.12 0.00 0.00 -0.87 0.00 0.00 58.31 56.32 3b6b n LYS 28 Cb 0.34 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.08 3b6b n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3b6b n ASN 29 N 0.38 -2.71 -4.80 3.14 4.05 -0.69 -5.04 115.26 109.59 3b6b n ASN 29 Ca 0.13 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.78 3b6b n ASN 29 Cb 0.29 -0.46 -0.06 0.00 1.23 0.00 0.00 39.78 40.78 3b6b n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3b6b s PHE 30 N -2.00 3.83 -0.06 1.20 0.40 -1.16 -4.89 117.98 115.30 3b6b s PHE 30 Ca 0.00 1.42 -0.00 0.00 -0.60 0.00 0.00 56.93 57.74 3b6b s PHE 30 Cb 0.00 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 3b6b s PHE 30 CO 0.00 0.54 -0.02 0.15 0.70 0.00 0.00 175.22 176.59 3b6b s LYS 31 N -1.20 2.86 -0.08 0.44 -0.14 -0.33 -4.46 119.74 116.83 3b6b s LYS 31 Ca 0.33 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 54.15 3b6b s LYS 31 Cb -0.21 -2.70 -0.03 0.00 -1.68 0.00 0.00 37.83 33.21 3b6b s LYS 31 CO 0.22 0.68 1.23 0.42 -0.76 0.00 0.00 175.35 177.13 3b6b s ILE 32 N -0.90 4.24 -0.25 2.17 1.01 -1.26 -0.55 121.20 125.65 3b6b s ILE 32 Ca 0.14 1.55 0.02 0.00 0.00 0.00 0.00 60.65 62.36 3b6b s ILE 32 Cb -0.11 -4.00 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 3b6b s ILE 32 CO 0.03 -0.04 -0.20 0.52 0.00 0.00 0.00 174.94 175.26 3b6b n VAL 33 N 4.82 1.50 -3.65 2.92 0.31 0.83 -4.94 118.33 120.13 3b6b n VAL 33 Ca 0.12 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.75 3b6b n VAL 33 Cb 0.46 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 3b6b n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3b6b s SER 34 N -6.53 -0.29 -0.22 4.52 1.04 -1.17 -4.99 113.70 106.06 3b6b s SER 34 Ca -0.34 -0.04 -0.18 0.00 0.48 0.00 0.00 55.95 55.86 3b6b s SER 34 Cb 0.09 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.71 3b6b s SER 34 CO 0.61 -0.70 0.58 -0.32 0.98 0.00 0.00 173.24 174.39 3b6b s MET 35 N -2.70 0.65 -0.02 4.02 0.00 -1.26 -0.45 119.30 119.54 3b6b s MET 35 Ca -0.04 0.87 0.02 0.00 0.00 0.00 0.00 55.69 56.54 3b6b s MET 35 Cb -0.00 0.27 0.00 0.00 0.00 0.00 0.00 34.83 35.10 3b6b s MET 35 CO -0.04 -0.10 -0.07 0.15 0.00 0.00 0.00 175.02 174.96 3b6b s LYS 36 N 0.62 0.78 -0.20 4.11 1.02 -0.46 -5.01 119.74 120.59 3b6b s LYS 36 Ca -0.02 -0.25 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 3b6b s LYS 36 Cb -0.05 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3b6b s LYS 36 CO -0.04 0.10 0.08 0.12 -0.92 0.00 0.00 175.35 174.70 3b6b s PHE 37 N 0.16 3.25 -0.29 3.18 5.36 -1.26 -1.23 117.98 127.14 3b6b s PHE 37 Ca -0.02 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 3b6b s PHE 37 Cb -0.07 -2.14 0.06 0.00 -0.34 0.00 0.00 43.02 40.53 3b6b s PHE 37 CO 0.00 0.08 -0.03 -1.58 -1.46 0.00 0.00 175.22 172.23 3b6b s TRP 38 N 0.67 3.32 0.55 10.12 0.52 0.18 -4.97 118.94 129.32 3b6b s TRP 38 Ca 0.04 -2.15 0.23 0.00 0.02 0.00 0.00 56.10 54.25 3b6b s TRP 38 Cb -0.13 -2.15 1.46 0.00 -1.15 0.00 0.00 33.47 31.49 3b6b s TRP 38 CO 0.01 -0.85 2.10 0.66 0.02 0.00 0.00 176.95 178.89 3b6b h SER 39 N 7.89 0.00 -1.65 2.95 4.64 -1.91 -0.28 113.55 125.19 3b6b h SER 39 Ca -0.19 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3b6b h SER 39 Cb 1.05 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.93 3b6b h SER 39 CO 0.51 0.00 -0.19 -0.75 -0.87 0.00 0.00 176.83 175.53 3b6b s LYS 40 N -4.90 0.57 0.28 4.77 2.20 -1.26 -3.22 119.74 118.18 3b6b s LYS 40 Ca -0.05 1.27 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 3b6b s LYS 40 Cb 0.17 0.73 -0.10 0.00 -1.51 0.00 0.00 37.83 37.12 3b6b s LYS 40 CO 0.64 -0.36 1.22 0.00 -0.36 0.00 0.00 175.35 176.50 3b6b s ALA 41 N 2.87 3.47 0.14 3.13 0.00 -1.26 -4.96 121.76 125.15 3b6b s ALA 41 Ca 0.04 1.09 -0.34 0.00 0.00 0.00 0.00 51.96 52.75 3b6b s ALA 41 Cb -0.13 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 3b6b s ALA 41 CO -0.20 -0.43 1.57 -2.30 0.00 0.00 0.00 175.76 174.40 3b6b n PRO 42 N 1.31 2.03 -0.28 0.00 -0.02 -1.26 -4.86 135.00 131.91 3b6b n PRO 42 Ca 0.01 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 3b6b n PRO 42 Cb 0.43 -2.49 0.45 0.00 -0.02 0.00 0.00 33.50 31.87 3b6b n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3b6b h ARG 43 N 5.95 0.51 -0.69 -0.52 2.43 -1.98 -2.32 114.38 117.77 3b6b h ARG 43 Ca -0.45 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 3b6b h ARG 43 Cb 1.26 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 3b6b h ARG 43 CO 0.88 0.34 0.37 -2.95 -1.51 0.00 0.00 179.97 177.10 3b6b h ASN 44 N 0.53 0.87 -0.77 -3.80 -1.07 -1.99 -1.23 115.58 108.11 3b6b h ASN 44 Ca 0.51 -0.10 0.02 0.00 0.07 0.00 0.00 56.30 56.80 3b6b h ASN 44 Cb 1.10 -0.22 -0.04 0.00 -2.07 0.00 0.00 38.32 37.09 3b6b h ASN 44 CO -0.24 0.72 0.50 -0.07 0.07 0.00 0.00 177.43 178.41 3b6b h LEU 45 N 0.95 0.85 -0.28 6.14 4.07 -1.80 -0.45 115.31 124.79 3b6b h LEU 45 Ca 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 3b6b h LEU 45 Cb 0.05 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 3b6b h LEU 45 CO -0.04 0.60 0.10 0.40 -1.08 0.00 0.00 178.44 178.42 3b6b h ILE 46 N 1.00 1.19 -0.45 1.22 1.08 -1.29 0.35 117.51 120.60 3b6b h ILE 46 Ca 0.30 -0.58 -0.07 0.00 -0.39 0.00 0.00 64.86 64.11 3b6b h ILE 46 Cb -0.05 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 3b6b h ILE 46 CO -0.09 0.20 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.22 3b6b h GLU 47 N 0.30 0.76 -0.40 2.37 5.08 -1.12 -1.12 114.58 120.45 3b6b h GLU 47 Ca 0.09 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3b6b h GLU 47 Cb 0.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3b6b h GLU 47 CO -0.01 0.78 0.19 1.96 -1.00 0.00 0.00 179.01 180.94 3b6b h GLN 48 N 0.71 0.58 -0.21 2.33 4.20 -0.78 -1.12 115.11 120.81 3b6b h GLN 48 Ca 0.14 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3b6b h GLN 48 Cb 0.47 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3b6b h GLN 48 CO 0.02 0.51 0.10 1.25 -0.67 0.00 0.00 178.83 180.04 3b6b h HIS 49 N 0.51 0.18 -0.90 2.96 2.76 0.21 -2.83 115.15 118.04 3b6b h HIS 49 Ca 0.14 0.01 -0.41 0.00 -2.20 0.00 0.00 60.37 57.91 3b6b h HIS 49 Cb 0.12 -0.05 -0.24 0.00 1.55 0.00 0.00 27.41 28.78 3b6b h HIS 49 CO -0.01 0.10 0.52 0.66 -1.30 0.00 0.00 177.93 177.89 3b6b n TYR 50 N -5.01 2.83 -0.22 5.26 4.02 -0.47 -4.68 117.16 118.90 3b6b n TYR 50 Ca -0.03 -1.60 0.20 0.00 -0.01 0.00 0.00 57.90 56.47 3b6b n TYR 50 Cb 0.06 -0.85 0.55 0.00 -0.02 0.00 0.00 39.34 39.08 3b6b n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3b6b h LYS 51 N 1.60 0.32 0.00 -0.72 2.10 -0.94 0.18 116.57 119.11 3b6b h LYS 51 Ca 0.50 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 3b6b h LYS 51 Cb 2.67 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.93 3b6b h LYS 51 CO 0.97 0.21 0.00 0.93 -2.00 0.00 0.00 179.45 179.56 3b6b h GLU 52 N 0.33 0.00 -0.37 0.07 5.08 -1.86 -2.79 114.58 115.05 3b6b h GLU 52 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3b6b h GLU 52 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3b6b h GLU 52 CO -0.14 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.59 3b6b n HIS 53 N -2.57 0.48 0.27 4.33 8.25 0.62 -4.71 115.22 121.89 3b6b n HIS 53 Ca 0.01 -0.30 0.17 0.00 -0.26 0.00 0.00 57.72 57.34 3b6b n HIS 53 Cb 0.21 -0.01 0.86 0.00 1.12 0.00 0.00 29.99 32.17 3b6b n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3b6b h SER 54 N 3.60 0.00 -0.60 0.41 4.64 -1.53 -0.28 113.55 119.79 3b6b h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b6b h SER 54 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3b6b h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3b6b n GLU 55 N -2.69 3.31 -3.78 4.77 1.02 -1.26 -4.93 120.64 117.07 3b6b n GLU 55 Ca -0.02 -2.71 -0.30 0.00 -0.02 0.00 0.00 57.16 54.12 3b6b n GLU 55 Cb 0.10 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 3b6b n GLU 55 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3b6b s GLN 56 N -1.58 3.52 0.44 3.49 -1.52 -0.12 -5.01 119.66 118.88 3b6b s GLN 56 Ca 0.46 -0.31 0.17 0.00 -1.95 0.00 0.00 55.36 53.74 3b6b s GLN 56 Cb 0.28 -2.92 1.01 0.00 -0.22 0.00 0.00 33.01 31.16 3b6b s GLN 56 CO 0.24 0.51 1.94 0.66 -0.25 0.00 0.00 175.29 178.39 3b6b h SER 57 N 2.67 0.00 1.07 5.90 4.64 -1.93 -2.14 113.55 123.77 3b6b h SER 57 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3b6b h SER 57 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3b6b h SER 57 CO 0.72 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.92 3b6b n TYR 58 N -4.03 0.21 0.06 4.77 0.18 -1.26 -4.45 117.16 112.65 3b6b n TYR 58 Ca -0.02 0.06 -0.12 0.00 1.88 0.00 0.00 57.90 59.70 3b6b n TYR 58 Cb 0.31 -0.60 -0.06 0.00 -0.38 0.00 0.00 39.34 38.61 3b6b n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3b6b h PHE 59 N 0.00 -0.97 -0.27 -3.48 3.04 -1.61 -1.00 116.94 112.64 3b6b h PHE 59 Ca 0.00 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 3b6b h PHE 59 Cb 0.54 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 3b6b h PHE 59 CO 0.00 -0.44 -0.25 -0.91 -2.02 0.00 0.00 178.31 174.69 3b6b h ASN 60 N -0.51 0.53 -0.31 0.41 2.35 -1.80 -2.06 115.58 114.19 3b6b h ASN 60 Ca 0.06 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.49 3b6b h ASN 60 Cb 0.59 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3b6b h ASN 60 CO -0.28 0.77 -0.32 0.44 -1.65 0.00 0.00 177.43 176.40 3b6b h ASP 61 N 0.46 0.87 -0.32 5.81 3.32 -1.76 -1.81 116.42 122.99 3b6b h ASP 61 Ca 0.07 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 3b6b h ASP 61 Cb 0.68 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3b6b h ASP 61 CO 0.05 1.12 0.17 -1.13 -1.72 0.00 0.00 179.24 177.72 3b6b h ASN 62 N 0.70 0.41 -0.38 6.45 -0.00 -0.97 -0.79 115.58 120.99 3b6b h ASN 62 Ca 0.07 -0.10 0.06 0.00 -0.00 0.00 0.00 56.30 56.33 3b6b h ASN 62 Cb 0.87 -0.10 -0.05 0.00 -0.00 0.00 0.00 38.32 39.04 3b6b h ASN 62 CO 0.08 0.39 0.06 0.00 -0.00 0.00 0.00 177.43 177.97 3b6b h ASP 64 N 0.18 -0.71 -0.43 0.00 3.32 -1.12 -2.14 116.42 115.53 3b6b h ASP 64 Ca 0.18 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.42 3b6b h ASP 64 Cb 0.22 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 3b6b h ASP 64 CO -0.25 -0.28 0.06 0.15 -1.72 0.00 0.00 179.24 177.20 3b6b h PHE 65 N -0.29 0.09 0.00 4.55 3.04 -0.61 -1.96 116.94 121.76 3b6b h PHE 65 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3b6b h PHE 65 Cb 0.44 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.97 3b6b h PHE 65 CO -0.33 -0.02 0.00 0.52 -2.02 0.00 0.00 178.31 176.46 3b6b h MET 66 N 0.19 0.00 -0.19 1.11 2.86 0.07 -0.85 114.93 118.12 3b6b h MET 66 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3b6b h MET 66 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3b6b h MET 66 CO -0.30 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.00 3b6b n VAL 67 N -2.58 0.47 0.34 -2.22 0.24 -0.86 -4.62 118.33 109.10 3b6b n VAL 67 Ca -0.00 -0.74 0.12 0.00 -2.04 0.00 0.00 64.34 61.68 3b6b n VAL 67 Cb 0.15 0.90 0.54 0.00 -1.47 0.00 0.00 33.84 33.95 3b6b n VAL 67 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3b6b h SER 68 N 2.30 0.00 -1.34 -1.34 4.64 -0.40 -3.45 113.55 113.96 3b6b h SER 68 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3b6b h SER 68 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3b6b h SER 68 CO 0.00 0.00 0.13 0.61 -0.87 0.00 0.00 176.83 176.70 3b6b n GLY 69 N -0.25 1.37 3.74 -0.77 0.00 -1.26 -5.10 105.19 102.93 3b6b n GLY 69 Ca 0.01 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3b6b n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3b6b s PRO 70 N -2.02 2.34 0.07 1.61 0.02 -1.20 -4.53 135.00 131.30 3b6b s PRO 70 Ca 0.06 1.51 0.02 0.00 0.02 0.00 0.00 61.00 62.61 3b6b s PRO 70 Cb -0.01 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3b6b s PRO 70 CO 0.02 -1.63 -0.08 0.96 -0.33 0.00 0.00 177.00 175.95 3b6b s ILE 71 N -2.31 0.66 -0.14 2.83 -4.36 -0.12 -3.27 121.20 114.48 3b6b s ILE 71 Ca 0.69 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 3b6b s ILE 71 Cb -0.23 -1.15 -0.00 0.00 1.25 0.00 0.00 42.46 42.33 3b6b s ILE 71 CO 0.46 -0.60 -0.16 -0.63 0.24 0.00 0.00 174.94 174.25 3b6b s ILE 72 N -2.43 2.69 -0.20 8.37 1.01 -0.98 -0.65 121.20 129.01 3b6b s ILE 72 Ca 0.01 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 3b6b s ILE 72 Cb -0.03 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3b6b s ILE 72 CO -0.02 0.52 0.10 -0.94 0.00 0.00 0.00 174.94 174.61 3b6b s SER 73 N 0.68 5.92 -0.02 3.58 1.04 -0.36 -0.55 113.70 123.98 3b6b s SER 73 Ca -0.08 0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.53 3b6b s SER 73 Cb -0.16 -2.03 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 3b6b s SER 73 CO 0.02 0.15 -0.14 -0.63 0.98 0.00 0.00 173.24 173.62 3b6b s ILE 74 N 0.52 1.13 -0.32 -1.02 1.01 0.95 -1.35 121.20 122.13 3b6b s ILE 74 Ca 0.06 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 3b6b s ILE 74 Cb -0.12 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 3b6b s ILE 74 CO 0.00 0.33 0.18 -0.69 0.00 0.00 0.00 174.94 174.76 3b6b s VAL 75 N -0.17 4.84 0.04 2.92 1.01 0.40 -0.27 120.40 129.18 3b6b s VAL 75 Ca 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3b6b s VAL 75 Cb -0.07 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3b6b s VAL 75 CO 0.00 0.06 0.19 -0.31 0.00 0.00 0.00 175.10 175.04 3b6b s TYR 76 N 1.65 3.50 -0.01 5.22 1.51 -0.76 -0.12 117.35 128.35 3b6b s TYR 76 Ca 0.05 0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 3b6b s TYR 76 Cb -0.17 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3b6b s TYR 76 CO 0.08 0.60 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.98 3b6b s GLU 77 N -2.31 1.09 0.00 -0.62 2.12 0.29 -1.71 118.70 117.56 3b6b s GLU 77 Ca 0.32 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.15 3b6b s GLU 77 Cb -0.13 -1.06 0.00 0.00 0.26 0.00 0.00 34.13 33.21 3b6b s GLU 77 CO 0.24 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 3b6b n GLY 78 N 2.70 -0.07 3.67 -1.50 0.00 -0.96 -1.18 105.19 107.85 3b6b n GLY 78 Ca -0.14 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 3b6b n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3b6b n THR 79 N -0.41 0.60 -3.18 2.61 -1.04 -1.26 -1.67 114.28 109.92 3b6b n THR 79 Ca 0.00 -0.11 -0.23 0.00 -2.04 0.00 0.00 64.05 61.67 3b6b n THR 79 Cb 0.00 -2.19 0.04 0.00 -1.82 0.00 0.00 70.33 66.36 3b6b n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3b6b n ASP 80 N 6.72 -5.98 -0.18 8.00 4.64 -0.64 -4.86 116.55 124.24 3b6b n ASP 80 Ca 0.20 -0.36 0.06 0.00 -1.38 0.00 0.00 54.79 53.31 3b6b n ASP 80 Cb 0.38 -4.81 0.34 0.00 -1.04 0.00 0.00 41.12 35.99 3b6b n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3b6b h ALA 81 N 1.01 1.67 0.46 -1.67 0.00 -1.73 -1.80 119.26 117.20 3b6b h ALA 81 Ca -0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3b6b h ALA 81 Cb 1.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3b6b h ALA 81 CO 0.57 0.22 -0.22 0.82 0.00 0.00 0.00 179.25 180.64 3b6b h ILE 82 N 0.78 0.48 -0.33 0.00 2.04 -1.88 -1.14 117.51 117.47 3b6b h ILE 82 Ca 0.31 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3b6b h ILE 82 Cb 0.21 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3b6b h ILE 82 CO -0.10 0.06 0.08 -1.28 0.00 0.00 0.00 178.15 176.91 3b6b h SER 83 N -0.87 0.50 -0.59 1.72 0.87 -1.85 -2.34 113.55 110.99 3b6b h SER 83 Ca -0.06 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 3b6b h SER 83 Cb 0.57 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3b6b h SER 83 CO 0.10 0.60 0.12 0.11 -0.53 0.00 0.00 176.83 177.23 3b6b h LYS 84 N 0.38 0.96 -0.05 2.24 1.79 -1.34 0.38 116.57 120.93 3b6b h LYS 84 Ca 0.10 -0.25 -0.15 0.00 -2.18 0.00 0.00 60.65 58.18 3b6b h LYS 84 Cb 0.30 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3b6b h LYS 84 CO 0.00 0.90 -0.63 0.82 -1.08 0.00 0.00 179.45 179.46 3b6b h ILE 85 N 0.87 1.41 -0.26 1.86 2.04 -1.24 -0.62 117.51 121.56 3b6b h ILE 85 Ca 0.18 -2.06 0.03 0.00 1.00 0.00 0.00 64.86 64.01 3b6b h ILE 85 Cb 0.39 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3b6b h ILE 85 CO 0.01 0.61 0.07 0.03 0.00 0.00 0.00 178.15 178.87 3b6b h ARG 86 N 0.14 0.18 -0.78 2.37 2.47 -1.10 -0.01 114.38 117.64 3b6b h ARG 86 Ca -0.01 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3b6b h ARG 86 Cb 1.14 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.38 3b6b h ARG 86 CO 0.09 0.12 0.40 0.00 0.56 0.00 0.00 179.97 181.14 3b6b h ARG 87 N 0.18 1.11 -0.66 0.04 3.08 -0.66 -1.28 114.38 116.18 3b6b h ARG 87 Ca 0.11 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3b6b h ARG 87 Cb 0.09 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3b6b h ARG 87 CO -0.13 0.84 0.25 1.25 -1.07 0.00 0.00 179.97 181.11 3b6b h LEU 88 N 1.11 0.93 -0.30 3.04 5.85 -0.77 -2.68 115.31 122.48 3b6b h LEU 88 Ca 0.27 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3b6b h LEU 88 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3b6b h LEU 88 CO -0.04 0.86 0.18 -0.61 -0.34 0.00 0.00 178.44 178.49 3b6b h GLN 89 N 0.95 0.37 0.00 1.25 4.15 -0.66 0.14 115.11 121.30 3b6b h GLN 89 Ca 0.22 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3b6b h GLN 89 Cb 0.23 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3b6b h GLN 89 CO -0.02 0.24 0.00 0.41 -1.93 0.00 0.00 178.83 177.54 3b6b n GLY 90 N -1.18 1.91 3.38 2.39 0.00 -0.51 -1.15 105.19 110.02 3b6b n GLY 90 Ca -0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 3b6b n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b6b s ASN 91 N -4.00 0.03 0.03 1.61 2.20 -1.26 -4.78 114.94 108.76 3b6b s ASN 91 Ca 0.00 -0.98 0.11 0.00 -0.94 0.00 0.00 52.86 51.05 3b6b s ASN 91 Cb 0.00 0.47 0.46 0.00 -2.00 0.00 0.00 41.25 40.18 3b6b s ASN 91 CO 0.00 -0.95 1.34 2.30 -2.94 0.00 0.00 177.10 176.85 3b6b n ILE 92 N -0.27 1.30 0.22 0.54 -5.35 -1.26 -1.38 119.36 113.16 3b6b n ILE 92 Ca -0.04 0.34 0.11 0.00 -0.27 0.00 0.00 62.75 62.89 3b6b n ILE 92 Cb 0.63 -1.19 0.01 0.00 -1.74 0.00 0.00 39.64 37.36 3b6b n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3b6b n LEU 93 N -1.57 0.72 -4.12 7.28 4.77 -1.26 -4.66 117.00 118.17 3b6b n LEU 93 Ca 0.02 0.24 -0.37 0.00 -0.03 0.00 0.00 56.01 55.88 3b6b n LEU 93 Cb 0.12 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3b6b n LEU 93 CO 0.10 -0.12 -0.12 0.42 -1.33 0.00 0.00 177.39 176.33 3b6b s THR 94 N -3.33 3.43 0.78 -5.08 -4.23 -0.97 -5.04 115.64 101.21 3b6b s THR 94 Ca 0.00 -2.17 -0.14 0.00 -1.18 0.00 0.00 61.69 58.21 3b6b s THR 94 Cb 0.11 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.69 3b6b s THR 94 CO 0.79 -0.73 1.22 -2.84 -0.54 0.00 0.00 174.62 172.53 3b6b s PRO 95 N 0.98 1.79 0.00 3.99 0.02 -1.26 -3.27 135.00 137.25 3b6b s PRO 95 Ca 0.09 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.93 3b6b s PRO 95 Cb -0.23 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3b6b s PRO 95 CO -0.04 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 174.93 3b6b n GLY 96 N 0.57 3.37 3.96 0.52 0.00 -1.26 -4.90 105.19 107.44 3b6b n GLY 96 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3b6b n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b6b s THR 97 N -2.94 2.87 0.10 2.61 -4.23 -1.20 -4.93 115.64 107.92 3b6b s THR 97 Ca 0.00 -1.13 -0.26 0.00 -1.18 0.00 0.00 61.69 59.12 3b6b s THR 97 Cb 0.00 -3.00 -0.12 0.00 1.34 0.00 0.00 72.50 70.72 3b6b s THR 97 CO 0.00 -0.00 1.68 0.40 -0.54 0.00 0.00 174.62 176.16 3b6b h ILE 98 N 0.79 0.67 -0.21 2.99 2.04 -0.78 0.06 117.51 123.07 3b6b h ILE 98 Ca -0.41 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.30 3b6b h ILE 98 Cb 1.27 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3b6b h ILE 98 CO 0.50 0.00 -0.50 0.03 0.00 0.00 0.00 178.15 178.18 3b6b h ARG 99 N -0.33 0.57 -0.72 2.37 3.08 -1.36 -1.67 114.38 116.31 3b6b h ARG 99 Ca 0.00 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 3b6b h ARG 99 Cb 0.31 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3b6b h ARG 99 CO -0.03 0.93 0.27 0.78 -1.07 0.00 0.00 179.97 180.85 3b6b h GLY 100 N 1.05 1.15 1.45 0.04 0.00 -1.08 -1.49 103.07 104.20 3b6b h GLY 100 Ca 0.02 -0.63 -0.27 0.00 0.00 0.00 0.00 47.33 46.45 3b6b h GLY 100 CO 0.09 0.59 -1.38 -0.55 0.00 0.00 0.00 176.54 175.29 3b6b h ASP 101 N 1.05 0.22 0.00 0.19 3.32 -0.96 -3.39 116.42 116.84 3b6b h ASP 101 Ca 0.24 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3b6b h ASP 101 Cb 0.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3b6b h ASP 101 CO -0.02 1.24 -0.50 0.18 -1.72 0.00 0.00 179.24 178.42 3b6b n LEU 102 N -3.36 0.00 -4.45 1.55 4.77 -0.63 -5.05 117.00 109.82 3b6b n LEU 102 Ca -0.11 -0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.41 3b6b n LEU 102 Cb 1.01 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.99 3b6b n LEU 102 CO 0.49 0.00 -0.52 0.00 -1.33 0.00 0.00 177.39 176.03 3b6b s ALA 103 N -1.37 2.58 -0.30 -1.18 0.00 -0.57 -5.03 121.76 115.91 3b6b s ALA 103 Ca 0.00 -1.54 0.18 0.00 0.00 0.00 0.00 51.96 50.61 3b6b s ALA 103 Cb 0.00 -0.45 0.47 0.00 0.00 0.00 0.00 23.12 23.14 3b6b s ALA 103 CO 0.00 0.48 1.29 -1.71 0.00 0.00 0.00 175.76 175.83 3b6b n ASN 104 N 0.45 0.24 -3.85 0.00 5.15 -1.26 -4.70 115.26 111.28 3b6b n ASN 104 Ca -0.14 -2.13 -0.12 0.00 -0.60 0.00 0.00 54.58 51.60 3b6b n ASN 104 Cb 0.55 0.03 -0.11 0.00 -0.53 0.00 0.00 39.78 39.72 3b6b n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3b6b s ASP 105 N -2.64 -0.04 0.47 1.20 -1.08 -1.26 -5.04 116.67 108.28 3b6b s ASP 105 Ca 0.19 -0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.47 3b6b s ASP 105 Cb 0.38 0.25 1.09 0.00 -1.46 0.00 0.00 42.92 43.18 3b6b s ASP 105 CO -0.08 -0.26 1.89 -0.29 0.52 0.00 0.00 175.17 176.96 3b6b h ILE 106 N 4.49 0.48 0.00 4.11 6.09 -2.02 -3.36 117.51 127.30 3b6b h ILE 106 Ca -0.29 -0.93 -0.17 0.00 -1.37 0.00 0.00 64.86 62.10 3b6b h ILE 106 Cb 1.20 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 40.11 3b6b h ILE 106 CO 0.40 0.17 -1.40 -1.14 -3.07 0.00 0.00 178.15 173.12 3b6b n ARG 107 N -3.39 0.32 -2.69 2.19 0.63 -1.26 -4.84 116.66 107.62 3b6b n ARG 107 Ca -0.00 0.14 -0.43 0.00 -0.92 0.00 0.00 57.85 56.64 3b6b n ARG 107 Cb 0.38 -1.04 -0.01 0.00 0.45 0.00 0.00 32.46 32.23 3b6b n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3b6b s GLU 108 N -2.37 3.84 -0.11 -0.14 2.02 -1.26 -4.68 118.70 115.99 3b6b s GLU 108 Ca -0.20 -1.81 0.14 0.00 0.02 0.00 0.00 54.97 53.13 3b6b s GLU 108 Cb 0.06 -5.32 0.32 0.00 0.10 0.00 0.00 34.13 29.29 3b6b s GLU 108 CO 0.26 -2.09 1.16 0.27 0.02 0.00 0.00 175.26 174.88 3b6b n ASN 109 N 7.80 1.51 0.00 -0.19 0.23 -1.26 -4.05 115.26 119.29 3b6b n ASN 109 Ca 0.39 -3.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.42 3b6b n ASN 109 Cb 0.47 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3b6b n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3b6b n LEU 110 N -0.74 0.00 -3.77 -4.53 4.77 -1.26 -4.79 117.00 106.67 3b6b n LEU 110 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3b6b n LEU 110 Cb 0.76 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.73 3b6b n LEU 110 CO -0.02 0.00 -0.10 -0.51 -1.33 0.00 0.00 177.39 175.43 3b6b s ILE 111 N 0.00 -0.01 -0.10 -0.08 2.07 -1.26 -0.88 121.20 120.94 3b6b s ILE 111 Ca 0.00 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3b6b s ILE 111 Cb 0.00 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 3b6b s ILE 111 CO 0.00 0.01 -0.01 -2.28 -1.91 0.00 0.00 174.94 170.76 3b6b s HIS 112 N 0.41 3.12 -0.02 3.50 5.65 -0.29 -4.97 115.29 122.69 3b6b s HIS 112 Ca -0.02 0.09 0.03 0.00 0.25 0.00 0.00 55.06 55.40 3b6b s HIS 112 Cb -0.04 -1.83 -0.00 0.00 -1.18 0.00 0.00 32.58 29.53 3b6b s HIS 112 CO -0.02 0.35 -0.10 0.00 -0.65 0.00 0.00 174.74 174.31 3b6b s ALA 113 N -0.57 0.91 0.39 1.58 0.00 -1.26 -1.04 121.76 121.76 3b6b s ALA 113 Ca 0.09 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 3b6b s ALA 113 Cb -0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 23.12 22.62 3b6b s ALA 113 CO 0.02 0.19 1.16 0.43 0.00 0.00 0.00 175.76 177.57 3b6b n SER 114 N 2.99 2.04 -0.60 0.00 7.64 -0.84 -4.90 113.62 119.95 3b6b n SER 114 Ca -0.15 1.11 0.07 0.00 1.01 0.00 0.00 58.87 60.91 3b6b n SER 114 Cb 0.55 -1.43 0.07 0.00 -1.01 0.00 0.00 64.21 62.40 3b6b n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3b6b n ASP 115 N 0.52 2.29 -3.66 6.43 5.75 -1.26 -4.65 116.55 121.97 3b6b n ASP 115 Ca 0.07 -1.64 -0.10 0.00 -0.01 0.00 0.00 54.79 53.12 3b6b n ASP 115 Cb 0.38 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.41 3b6b n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3b6b s SER 116 N -1.18 -0.31 0.18 -1.12 1.04 -1.26 -4.94 113.70 106.10 3b6b s SER 116 Ca 0.18 -0.35 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 3b6b s SER 116 Cb 0.12 0.56 0.11 0.00 0.10 0.00 0.00 66.02 66.92 3b6b s SER 116 CO 0.18 -0.99 1.79 -0.33 0.98 0.00 0.00 173.24 174.87 3b6b h GLU 117 N 2.20 0.50 -0.26 4.02 5.08 -1.97 -0.00 114.58 124.15 3b6b h GLU 117 Ca -0.31 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3b6b h GLU 117 Cb 1.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3b6b h GLU 117 CO 0.40 0.33 0.08 -0.44 -1.00 0.00 0.00 179.01 178.38 3b6b h ASP 118 N 0.52 0.37 -0.08 1.42 3.32 -2.00 -2.23 116.42 117.75 3b6b h ASP 118 Ca 0.21 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3b6b h ASP 118 Cb 0.09 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3b6b h ASP 118 CO -0.13 0.47 -0.10 0.77 -1.72 0.00 0.00 179.24 178.53 3b6b h SER 119 N 0.26 0.35 0.26 6.45 4.64 -1.92 -1.84 113.55 121.74 3b6b h SER 119 Ca 0.08 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3b6b h SER 119 Cb 0.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3b6b h SER 119 CO -0.00 0.49 -0.12 0.00 -0.87 0.00 0.00 176.83 176.33 3b6b h ALA 120 N 1.55 -0.34 -0.40 5.18 0.00 -0.82 0.42 119.26 124.84 3b6b h ALA 120 Ca 0.07 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3b6b h ALA 120 Cb 0.40 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 3b6b h ALA 120 CO 0.02 -0.58 -0.13 0.28 0.00 0.00 0.00 179.25 178.84 3b6b h VAL 121 N -0.57 0.53 0.35 0.00 2.07 -1.33 0.61 116.25 117.90 3b6b h VAL 121 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3b6b h VAL 121 Cb 0.42 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3b6b h VAL 121 CO 0.06 0.00 -0.17 -0.78 0.02 0.00 0.00 177.57 176.70 3b6b h ASP 122 N -0.04 -0.39 -0.79 0.57 3.58 -1.28 -2.52 116.42 115.55 3b6b h ASP 122 Ca 0.20 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 3b6b h ASP 122 Cb 0.34 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 3b6b h ASP 122 CO -0.44 -0.24 0.40 -0.33 -2.88 0.00 0.00 179.24 175.74 3b6b h GLU 123 N -0.51 1.13 -0.75 0.28 5.08 -0.64 -1.85 114.58 117.32 3b6b h GLU 123 Ca -0.05 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3b6b h GLU 123 Cb 0.39 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3b6b h GLU 123 CO 0.08 0.86 0.46 0.82 -1.00 0.00 0.00 179.01 180.22 3b6b h ILE 124 N 1.13 1.05 0.00 3.13 2.04 -0.82 -2.30 117.51 121.74 3b6b h ILE 124 Ca 0.28 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3b6b h ILE 124 Cb 0.09 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3b6b h ILE 124 CO -0.04 0.16 -0.33 0.77 0.00 0.00 0.00 178.15 178.71 3b6b h SER 125 N 0.86 0.00 -0.08 1.72 4.64 -0.91 0.24 113.55 120.03 3b6b h SER 125 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 3b6b h SER 125 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3b6b h SER 125 CO -0.15 0.33 -0.02 0.40 -0.87 0.00 0.00 176.83 176.52 3b6b h ILE 126 N 0.00 1.30 0.00 0.95 2.04 -0.92 -3.06 117.51 117.81 3b6b h ILE 126 Ca -0.00 -0.95 -0.22 0.00 1.00 0.00 0.00 64.86 64.69 3b6b h ILE 126 Cb 0.79 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 3b6b h ILE 126 CO 0.04 0.26 -1.52 0.79 0.00 0.00 0.00 178.15 177.73 3b6b n TRP 127 N -4.79 1.01 -3.23 1.37 7.02 -0.91 -4.45 117.44 113.46 3b6b n TRP 127 Ca -0.07 0.35 -0.24 0.00 -1.02 0.00 0.00 57.50 56.52 3b6b n TRP 127 Cb 0.23 -1.13 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 3b6b n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3b6b n PHE 128 N -2.96 1.40 0.03 -5.99 3.72 0.84 -4.94 117.46 109.55 3b6b n PHE 128 Ca -0.12 -3.83 0.03 0.00 -0.05 0.00 0.00 57.45 53.48 3b6b n PHE 128 Cb 0.92 -0.44 0.41 0.00 -0.94 0.00 0.00 39.48 39.44 3b6b n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3b6b h PRO 129 N 3.75 0.48 0.00 -1.08 0.13 -1.70 -3.41 132.00 130.17 3b6b h PRO 129 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3b6b h PRO 129 Cb 0.79 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3b6b h PRO 129 CO 0.62 0.37 0.00 -0.85 -0.23 0.00 0.00 178.00 177.91